RefChem:859878
TL;DR: RefChem:859878 (CAS 27982-36-1) is a chemical compound with molecular formula C33H47ClN2O4 and molecular weight 570.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-2-chlorophenyl]-4,4-dimethyl-3-oxopentanamide
Also Known As: Pentanamide, N-[5-[[2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-1-oxobutyl]amino]-2-chlorophenyl]-4,4-dimethyl-3-oxo-, Pentanamide, N-(5-((2-(2,4-bis(1,1-dimethylpropyl)phenoxy)-1-oxobutyl)amino)-2-chlorophenyl)-4,4-dimethyl-3-oxo-, N-(5-{2-[2,4-BIS(2-METHYLBUTAN-2-YL)PHENOXY]BUTANAMIDO}-2-CHLOROPHENYL)-4,4-DIMETHYL-3-OXOPENTANAMIDE, n-[5-({2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoyl}amino)-2-chlorophenyl]-4,4-dimethyl-3-oxopentanamide, N-[5-[[2-[2,4-BIS(1,1-DIMETHYLPROPYL)PHENOXY]-1-OXOBUTYL]AMINO]-2-CHLOROPHENYL]-4,4-DIMETHYL-3-OXOVALERAMIDE
| Molecular Formula | C33H47ClN2O4 |
|---|---|
| Molecular Weight | 570.32 g/mol |
| LogP | 9.8 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Exact Mass | 570.32245 |
| Heavy Atoms | 40 |
| Complexity | 865.0 |
Chemical Identifiers
| CAS Number | 27982-36-1 |
|---|---|
| SMILES | CCC(C(=O)NC1=CC(=C(C=C1)Cl)NC(=O)CC(=O)C(C)(C)C)OC2=C(C=C(C=C2)C(C)(C)CC)C(C)(C)CC |
| InChIKey | ICYVXWDOPHKLQR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:859878 (CAS 27982-36-1), with molecular formula C33H47ClN2O4 and molecular weight 570.32 g/mol. IUPAC: N-[5-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-2-chlorophenyl]-4,4-dimethyl-3-oxopentanamide.
Chemical Property Profile of RefChem:859878
Property Insights of RefChem:859878
The XLogP value of 9.8 indicates that RefChem:859878 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:859878. Following Lipinski's Rule of Five, RefChem:859878 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:859878?
The CAS number of RefChem:859878 is 27982-36-1.
What is the molecular formula of RefChem:859878?
The molecular formula of RefChem:859878 is C33H47ClN2O4.
What is the molecular weight of RefChem:859878?
The molecular weight of RefChem:859878 is 570.32 g/mol.
Where can I buy RefChem:859878?
You can request a quote for RefChem:859878 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:859878?
Yes, KEHONG BIO provides custom synthesis services for RefChem:859878 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.